1-ethenylimidazole;prop-2-enamide

C8H11N3O — CID 68633312

IUPAC1-ethenylimidazole;prop-2-enamide
SMILESC=CC(N)=O.C=Cn1ccnc1
InChIInChI=1S/C5H6N2.C3H5NO/c1-2-7-4-3-6-5-7;1-2-3(4)5/h2-5H,1H2;2H,1H2,(H2,4,5)
InChIKeyQUTDBQINKLXORO-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.64
Rot. Bonds2

About 1-ethenylimidazole;prop-2-enamide

1-ethenylimidazole;prop-2-enamide (PubChem CID 68633312) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-ethenylimidazole;prop-2-enamide.

Molecular Properties

Compound Name1-ethenylimidazole;prop-2-enamide
PubChem CID68633312
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-ethenylimidazole;prop-2-enamide
SMILESC=CC(N)=O.C=Cn1ccnc1
InChIInChI=1S/C5H6N2.C3H5NO/c1-2-7-4-3-6-5-7;1-2-3(4)5/h2-5H,1H2;2H,1H2,(H2,4,5)
InChIKeyQUTDBQINKLXORO-UHFFFAOYSA-N
XLogP0.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;prop-2-enamide?
The IUPAC name of 1-ethenylimidazole;prop-2-enamide (CID 68633312) is 1-ethenylimidazole;prop-2-enamide.
What is the SMILES notation for 1-ethenylimidazole;prop-2-enamide?
The canonical SMILES for 1-ethenylimidazole;prop-2-enamide is C=CC(N)=O.C=Cn1ccnc1.
What is the InChIKey of 1-ethenylimidazole;prop-2-enamide?
The InChIKey is QUTDBQINKLXORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C3H5NO/c1-2-7-4-3-6-5-7;1-2-3(4)5/h2-5H,1H2;2H,1H2,(H2,4,5).
What are the key properties of 1-ethenylimidazole;prop-2-enamide?
1-ethenylimidazole;prop-2-enamide has a molecular weight of 165.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;prop-2-enamide is sourced from PubChem (CID 68633312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).